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Manuscript title: Redefining the Mechanistic Scenario of Carbon–Sulfur Nucleophilic Coupling via High-Valent Cp*Co(IV) Species
Journal: Angew. Chem. Int. Ed.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Lopez Resano, Sara | - |
| dc.date.accessioned | 2021-01-28T08:06:45Z | - |
| dc.date.available | 2021-03-19T11:59:28Z | - |
| dc.date.created | 2021-01-28T09:06:43.833+01:00 | - |
| dc.date.issued | 2021-01-28T09:06:43.833+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/27761 | - |
| dc.description | Co(V) complex triplet | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Redefining the Mechanistic Scenario of Carbon–Sulfur Nucleophilic Coupling via High-Valent Cp*Co(IV) Species DOI: 10.1002/anie.202101390 Journal: Angew. Chem. Int. Ed. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-193 | - |
| dc.relation.uri | http://dx.doi.org/10.1002/anie.202101390 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2021 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Reductive elimination | - |
| dc.subject | High-valent | - |
| dc.subject | Cobalt | - |
| dc.title | /Optimizations Co-ppy-SCF3-t-2+ | - |
| dc.type | dataset | - |
| dc.date.updated | 2021-01-28T08:06:45Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevD.01 | en |
| cml.method | UM06 | en |
| cml.basisset | LANL2DZ 6-31G* GENECP | en |
| cml.multiplicity | 3 | en |
| cml.spintype | Unrestricted | en |
| cml.shelltype | open | en |
| cml.charge | 2 | en |
| cml.energy.value | -1748.61071764 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C22H23CoF3NS | en |
| cml.calculationtype | Geometry optimization Minimum | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Redefining the Mechanistic Scenario of Carbon–Sulfur Nucleophilic Coupling via High-Valent Cp*Co(IV) Species - DOI: 10.19061/iochem-bd-1-193 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/27761
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